(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone

C24H27N3O3 — CID 157014538

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCN(C(COc3ccccc3)c3ccccc3)CC2)o1
InChIInChI=1S/C24H27N3O3/c1-18-23(30-19(2)25-18)24(28)27-15-13-26(14-16-27)22(20-9-5-3-6-10-20)17-29-21-11-7-4-8-12-21/h3-12,22H,13-17H2,1-2H3
InChIKeyNFYAHWFUPCZYAA-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.87
Rot. Bonds6

About (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone

(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone (PubChem CID 157014538) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
PubChem CID157014538
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCN(C(COc3ccccc3)c3ccccc3)CC2)o1
InChIInChI=1S/C24H27N3O3/c1-18-23(30-19(2)25-18)24(28)27-15-13-26(14-16-27)22(20-9-5-3-6-10-20)17-29-21-11-7-4-8-12-21/h3-12,22H,13-17H2,1-2H3
InChIKeyNFYAHWFUPCZYAA-UHFFFAOYSA-N
XLogP3.87
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157018471
(5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157013036
[3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157015324
[1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157014799
2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone
CID 157016143
3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one
CID 157011519
1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride
CID 21228853
[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 71930814
[4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 71511329
(4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone
CID 146074737
(4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 110684703
N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine
CID 166622197

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone (CID 157014538) is (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCN(C(COc3ccccc3)c3ccccc3)CC2)o1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is NFYAHWFUPCZYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-18-23(30-19(2)25-18)24(28)27-15-13-26(14-16-27)22(20-9-5-3-6-10-20)17-29-21-11-7-4-8-12-21/h3-12,22H,13-17H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 405.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 157014538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).